N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C23H26N4O2 — CID 46908099

IUPACN-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2CO)cc1
InChIInChI=1S/C23H26N4O2/c1-16-21(13-18-5-4-11-24-22(18)26-16)23(29)25-14-17-7-9-19(10-8-17)27-12-3-2-6-20(27)15-28/h4-5,7-11,13,20,28H,2-3,6,12,14-15H2,1H3,(H,25,29)
InChIKeyFWGBINHSJRRVRH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.22
Rot. Bonds5

About N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46908099) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46908099
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2CO)cc1
InChIInChI=1S/C23H26N4O2/c1-16-21(13-18-5-4-11-24-22(18)26-16)23(29)25-14-17-7-9-19(10-8-17)27-12-3-2-6-20(27)15-28/h4-5,7-11,13,20,28H,2-3,6,12,14-15H2,1H3,(H,25,29)
InChIKeyFWGBINHSJRRVRH-UHFFFAOYSA-N
XLogP3.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclohexylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909359
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908101
N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909068
2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 161431830
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 46908965
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45137948
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63059898
N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 123993801
2-amino-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 166390484
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46908099) is N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2CO)cc1.
What is the InChIKey of N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is FWGBINHSJRRVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-21(13-18-5-4-11-24-22(18)26-16)23(29)25-14-17-7-9-19(10-8-17)27-12-3-2-6-20(27)15-28/h4-5,7-11,13,20,28H,2-3,6,12,14-15H2,1H3,(H,25,29).
What are the key properties of N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).